2-cyclohexyl-2-[1-(furan-2-ylcarbonylamino)-2-[1-(4-methylphenyl)piperidin-1-ium-1-yl]butan-2-yl]propanedioic acid

Systemtic Name: 2-cyclohexyl-2-[1-(furan-2-ylcarbonylamino)-2-[1-(4-methylphenyl)piperidin-1-ium-1-yl]butan-2-yl]propanedioic acid Openeye Name: 2-cyclohexyl-2-[1-[(furan-2-carbonylamino)methyl]-1-[1-(p-tolyl)piperidin-1-ium-1-yl]propyl]propanedioic acid CAS Name: 2-cyclohexyl-2-[1-[[2-furanyl(oxo)methyl]amino]-2-[1-(4-methylphenyl)-1-piperidin-1-iumyl]butan-2-yl]propanedioic acid IUPAC Name: 2-cyclohexyl-2-[1-(furan-2-carbonylamino)-2-[1-(4-methylphenyl)piperidin-1-ium-1-yl]butan-2-yl]propanedioic acid Traditional Name: 2-cyclohexyl-2-[1-[(2-furoylamino)methyl]-1-[1-(p-tolyl)piperidin-1-ium-1-yl]propyl]malonic acid Formula: C30H41N2O6+ MolecularWeight: 525.65634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=CO1)(C(C2CCCCC2)(C(=O)O)C(=O)O)[N+]3(CCCCC3)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(CNC(=O)C1=CC=CO1)(C(C2CCCCC2)(C(=O)O)C(=O)O)[N+]3(CCCCC3)C4=CC=C(C=C4)C

InChI

InChI=1S/C30H40N2O6/c1-3-29(21-31-26(33)25-13-10-20-38-25,30(27(34)35,28(36)37)23-11-6-4-7-12-23)32(18-8-5-9-19-32)24-16-14-22(2)15-17-24/h10,13-17,20,23H,3-9,11-12,18-19,21H2,1-2H3,(H2-,31,33,34,35,36,37)/p+1